CID 1501900

3-chloropyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C5H3ClN2O2
SMILES
C1=CN=C(C(=N1)C(=O)O)Cl
InChI
InChI=1S/C5H3ClN2O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H,9,10)
InChIKey
PMRPVXLESNMKLG-UHFFFAOYSA-N
Compound name
3-chloropyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

316
Patents

157.98831 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.99559 125.9
[M+Na]+ 180.97753 139.6
[M+NH4]+ 176.02213 133.5
[M+K]+ 196.95147 134.4
[M-H]- 156.98103 125.8
[M+Na-2H]- 178.96298 132.8
[M]+ 157.98776 128.0
[M]- 157.98886 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe